Information card for entry 4321330

Structure parameters

• Formula: C19 H36 Cl3 Cu N5 O3
• Calculated formula: C19 H36 Cl3 Cu N5 O3
• Title of publication: C-Substituted Macrocycles as Candidates for Radioimmunotherapy
• Authors of publication: Paul V. Bernhardt; Philip C. Sharpe
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 4123 - 4129
• a: 9.286 ± 0.002 Å
• b: 11.294 ± 0.001 Å
• c: 23.609 ± 0.008 Å
• α: 90°
• β: 93.68 ± 0.01°
• γ: 90°
• Cell volume: 2470.9 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1013
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1745
• Weighted residual factors for all reflections included in the refinement: 0.2003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No